(3-aminopiperidin-1-yl)-[2-(3-methoxyanilino)phenyl]methanone

C19H23N3O2 — CID 119377562

IUPAC(3-aminopiperidin-1-yl)-[2-(3-methoxyanilino)phenyl]methanone
SMILESCOc1cccc(Nc2ccccc2C(=O)N2CCCC(N)C2)c1
InChIInChI=1S/C19H23N3O2/c1-24-16-8-4-7-15(12-16)21-18-10-3-2-9-17(18)19(23)22-11-5-6-14(20)13-22/h2-4,7-10,12,14,21H,5-6,11,13,20H2,1H3
InChIKeyRAYNEJXJVJAGFZ-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.00
Rot. Bonds4

About (3-aminopiperidin-1-yl)-[2-(3-methoxyanilino)phenyl]methanone

(3-aminopiperidin-1-yl)-[2-(3-methoxyanilino)phenyl]methanone (PubChem CID 119377562) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-[2-(3-methoxyanilino)phenyl]methanone.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-[2-(3-methoxyanilino)phenyl]methanone
PubChem CID119377562
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name(3-aminopiperidin-1-yl)-[2-(3-methoxyanilino)phenyl]methanone
SMILESCOc1cccc(Nc2ccccc2C(=O)N2CCCC(N)C2)c1
InChIInChI=1S/C19H23N3O2/c1-24-16-8-4-7-15(12-16)21-18-10-3-2-9-17(18)19(23)22-11-5-6-14(20)13-22/h2-4,7-10,12,14,21H,5-6,11,13,20H2,1H3
InChIKeyRAYNEJXJVJAGFZ-UHFFFAOYSA-N
XLogP3.00
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-1-[2-(3-methoxyanilino)benzoyl]piperidine-3-carboxamide;dihydrochloride
CID 119479592
[2-(3-methoxyanilino)phenyl]-(3-methylpiperazin-1-yl)methanone
CID 119576643
3,9-diazabicyclo[4.2.1]nonan-3-yl-[2-(3-methoxyanilino)phenyl]methanone;dihydrochloride
CID 119635311
[(3S)-3-aminopiperidin-1-yl]-(2-methoxyphenyl)methanone
CID 129366272
(3-aminopiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride
CID 119381351
[5-amino-2-(3-methoxyanilino)phenyl]-pyrrolidin-1-ylmethanone
CID 100648504
(3R)-3-amino-N-[2-(3-methoxyphenyl)phenyl]piperidine-1-carboxamide
CID 125164364
1-[2-(3-methoxyanilino)benzoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257609
1-(3-methoxyphenyl)-3-[2-(piperidine-1-carbonyl)phenyl]urea
CID 99129473
(2-anilinophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119395281
(2-anilinophenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488243
2-(3-methoxyanilino)benzoate
CID 6943552

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-[2-(3-methoxyanilino)phenyl]methanone?
The IUPAC name of (3-aminopiperidin-1-yl)-[2-(3-methoxyanilino)phenyl]methanone (CID 119377562) is (3-aminopiperidin-1-yl)-[2-(3-methoxyanilino)phenyl]methanone.
What is the SMILES notation for (3-aminopiperidin-1-yl)-[2-(3-methoxyanilino)phenyl]methanone?
The canonical SMILES for (3-aminopiperidin-1-yl)-[2-(3-methoxyanilino)phenyl]methanone is COc1cccc(Nc2ccccc2C(=O)N2CCCC(N)C2)c1.
What is the InChIKey of (3-aminopiperidin-1-yl)-[2-(3-methoxyanilino)phenyl]methanone?
The InChIKey is RAYNEJXJVJAGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-24-16-8-4-7-15(12-16)21-18-10-3-2-9-17(18)19(23)22-11-5-6-14(20)13-22/h2-4,7-10,12,14,21H,5-6,11,13,20H2,1H3.
What are the key properties of (3-aminopiperidin-1-yl)-[2-(3-methoxyanilino)phenyl]methanone?
(3-aminopiperidin-1-yl)-[2-(3-methoxyanilino)phenyl]methanone has a molecular weight of 325.41 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-[2-(3-methoxyanilino)phenyl]methanone is sourced from PubChem (CID 119377562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).